N-(2,4-difluorophenyl)hexanamide

C12H15F2NO — CID 3484261

IUPACN-(2,4-difluorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFZPCYIJVGHEXEC-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.48
Rot. Bonds5

About N-(2,4-difluorophenyl)hexanamide

N-(2,4-difluorophenyl)hexanamide (PubChem CID 3484261) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)hexanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)hexanamide
PubChem CID3484261
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(2,4-difluorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFZPCYIJVGHEXEC-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-acetyl-5-fluorophenyl)hexanamide
CID 134838047
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)hexanamide?
The IUPAC name of N-(2,4-difluorophenyl)hexanamide (CID 3484261) is N-(2,4-difluorophenyl)hexanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)hexanamide?
The canonical SMILES for N-(2,4-difluorophenyl)hexanamide is CCCCCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)hexanamide?
The InChIKey is FZPCYIJVGHEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2,4-difluorophenyl)hexanamide?
N-(2,4-difluorophenyl)hexanamide has a molecular weight of 227.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)hexanamide is sourced from PubChem (CID 3484261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).